2-(2-methylprop-2-enyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indene-1,3-dione

Systemtic Name: 2-(2-methylprop-2-enyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indene-1,3-dione Openeye Name: 2-(2-methylallyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indane-1,3-dione CAS Name: 2-(2-methylprop-2-enyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indene-1,3-dione IUPAC Name: 2-(2-methylprop-2-enyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indene-1,3-dione Traditional Name: 2-(2-methylallyl)-2-[1-(4-nitrophenyl)but-3-ynyl]indane-1,3-quinone Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CC1(C(=O)C2=CC=CC=C2C1=O)C(CC#C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19NO4/c1-4-7-20(16-10-12-17(13-11-16)24(27)28)23(14-15(2)3)21(25)18-8-5-6-9-19(18)22(23)26/h1,5-6,8-13,20H,2,7,14H2,3H3